[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate

C17H15NO4 — CID 19076921

IUPAC[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-12(2)16(19)21-15-10-8-13(9-11-15)18-17(20)22-14-6-4-3-5-7-14/h3-11H,1H2,2H3,(H,18,20)
InChIKeyJJTQQMVYNRDRCZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.78
Rot. Bonds4

About [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate

[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate (PubChem CID 19076921) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
PubChem CID19076921
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H15NO4/c1-12(2)16(19)21-15-10-8-13(9-11-15)18-17(20)22-14-6-4-3-5-7-14/h3-11H,1H2,2H3,(H,18,20)
InChIKeyJJTQQMVYNRDRCZ-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
phenyl N-(4-iodophenyl)carbamate
CID 73442286
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-[4-[4-(phenoxycarbonylamino)phenyl]piperazin-1-yl]phenyl] acetate
CID 68857508
phenyl 2-methylprop-2-enoate;styrene
CID 22227486
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
[4-[4-(2-methylprop-2-enoyloxy)phenoxy]phenyl]-diphenylsulfanium
CID 154009554
phenyl N-[4-[(2-methylpent-1-en-3-ylamino)methyl]phenyl]carbamate
CID 166706531
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
CID 10957066
[4-[3-[4-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739254

Frequently Asked Questions

What is the IUPAC name of [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate (CID 19076921) is [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate?
The InChIKey is JJTQQMVYNRDRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-12(2)16(19)21-15-10-8-13(9-11-15)18-17(20)22-14-6-4-3-5-7-14/h3-11H,1H2,2H3,(H,18,20).
What are the key properties of [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate?
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate has a molecular weight of 297.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 19076921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).